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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03921522

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID		A2F9A0.8
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.7
CHDCHOLIC ACIDA,B2PNJ0.72
CHDCHOLIC ACIDA,B1HRK0.72
CHDCHOLIC ACIDA,B2PO70.72
CHDCHOLIC ACIDA2QO60.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
CHDCHOLIC ACIDA2AZY0.72
CHDCHOLIC ACIDA,B,C2DQY0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
CHDCHOLIC ACIDA,B,C,D2QD10.72
CHDCHOLIC ACIDA2FT90.72
CHDCHOLIC ACIDA,B2HRC0.72
CHDCHOLIC ACIDA,B1TW40.72
CHDCHOLIC ACIDA,B2QD30.72
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
CHDCHOLIC ACIDA2RLC0.72
CHDCHOLIC ACIDA,B1ON50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
CHDCHOLIC ACIDA,B2QD40.72
CHDCHOLIC ACIDA2QO50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
CHDCHOLIC ACIDA,B2QD20.72
CHDCHOLIC ACIDA,B,C3ELZ0.72
CHDCHOLIC ACIDA,B2PO50.72
CHDCHOLIC ACIDA,B1S9Q0.72
CHDCHOLIC ACIDA,B1EE20.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
CHDCHOLIC ACIDA,B,C,D2HRE0.72
CHDCHOLIC ACIDA,B2QD50.72
CHDCHOLIC ACIDA,B3EM00.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
CHDCHOLIC ACIDA2QO40.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE		A,B,C,D,E,F,
G,H,I,J,K,L		1SZO0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.72
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.82
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.82
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.82
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.82
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.82
JN3CHENODEOXYCHOLIC ACIDA2JN30.72
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.73
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVD0.76
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVE0.76
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.74
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.7
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.7
CAH5-EXO-HYDROXYCAMPHORA1NOO0.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.7